2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol

C13H18ClNO — CID 117028541

IUPAC2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol
SMILESCc1ccc(N2CCCC2CCO)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-10-4-5-12(9-13(10)14)15-7-2-3-11(15)6-8-16/h4-5,9,11,16H,2-3,6-8H2,1H3
InChIKeyNGAGXCDURBHUDA-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.00
Rot. Bonds3

About 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol

2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol (PubChem CID 117028541) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol
PubChem CID117028541
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol
SMILESCc1ccc(N2CCCC2CCO)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-10-4-5-12(9-13(10)14)15-7-2-3-11(15)6-8-16/h4-5,9,11,16H,2-3,6-8H2,1H3
InChIKeyNGAGXCDURBHUDA-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
CID 117028575
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-yl]ethanol
CID 117028574
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
CID 112747807
[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
CID 143518892
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949
3-[1-[2-chloro-4-(hydroxymethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 81152031
2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
CID 62925861
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
CID 62468113

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol (CID 117028541) is 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol is Cc1ccc(N2CCCC2CCO)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol?
The InChIKey is NGAGXCDURBHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-4-5-12(9-13(10)14)15-7-2-3-11(15)6-8-16/h4-5,9,11,16H,2-3,6-8H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol?
2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol has a molecular weight of 239.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 117028541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).